3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid

C12H21N3O5 — CID 82962021

IUPAC3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H21N3O5/c1-7(2)9(13)10(17)14-5-8(16)15-12(11(18)19)3-4-20-6-12/h7,9H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t9-,12?/m0/s1
InChIKeyBWHKCTZJQCKCFK-QHGLUPRGSA-N
MW287.32 g/mol
LogP-1.55
Rot. Bonds6

About 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid

3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 82962021) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
PubChem CID82962021
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H21N3O5/c1-7(2)9(13)10(17)14-5-8(16)15-12(11(18)19)3-4-20-6-12/h7,9H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t9-,12?/m0/s1
InChIKeyBWHKCTZJQCKCFK-QHGLUPRGSA-N
XLogP-1.55
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
CID 103871073
(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
CID 103885066
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
4-[[(2-amino-3-methylbutanoyl)amino]methyl]oxane-4-carboxylic acid
CID 113310182
4-(4-aminopentanoylamino)oxane-4-carboxylic acid
CID 115292369
3-[3-(4-aminophenyl)butanoylamino]oxolane-3-carboxylic acid
CID 104502718
3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 64887873
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid (CID 82962021) is 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid is CC(C)[C@H](N)C(=O)NCC(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BWHKCTZJQCKCFK-QHGLUPRGSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-7(2)9(13)10(17)14-5-8(16)15-12(11(18)19)3-4-20-6-12/h7,9H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t9-,12?/m0/s1.
What are the key properties of 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of -1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 82962021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).